HRID1232803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8072

2-(Ethylamino)ethanol

C4H11NO

HCID31374

Dimethylacetamide

C4H9NO

结构：CN(CC1CCC(COCCCCBr)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID22294178

未命名化合物

PRODUCTS

生成物

结构：CCN(CCO)CCCCOCC1CCC(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

HCID22294197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bb6d5110c3945d39cfdc9514f3cc059
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH3:29])[CH2:12][CH2:13]1.[CH2:30]([CH3:31])[NH:32][CH2:33][CH2:34][OH:35].[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41]>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH3:29])[CH2:12][CH2:13]1)[N:32]([CH2:30][CH3:31])[CH2:33][CH2:34][OH:35]